1.0 2010-04-08 22:09:30 UTC 2015-07-20 22:38:27 UTC FDB011157 2-(Methylthio)pyrazine Flavouring ingredient (methylthio)-Pyrazine 2-(Methylsulfanyl)pyrazine 2-(Methylthio)pyrazine 2-Methylsulphanyl-pyrazine FEMA 3231 Methylthio pyrazine Pyrazine, (methylthio)- Pyrazinyl methyl sulfide C5H6N2S 126.18 126.025168892 2-(methylsulfanyl)pyrazine 2-methylthiopyrazine 21948-70-9 CSC1=CN=CC=N1 InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3 KBPBOWBQRUXMFV-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. Aryl thioethers Organic compounds Organosulfur compounds Thioethers Aryl thioethers Aromatic heteromonocyclic compounds Alkylarylthioethers Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyrazines Sulfenyl compounds Alkylarylthioether Aromatic heteromonocyclic compound Aryl thioether Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrazine Sulfenyl compound logp 0.99 ALOGPS logs -0.57 ALOGPS solubility 3.42e+01 g/l ALOGPS melting_point Mp 44-47° logp 0.76 ChemAxon pka_strongest_basic 0.18 ChemAxon iupac 2-(methylsulfanyl)pyrazine ChemAxon average_mass 126.18 ChemAxon mono_mass 126.025168892 ChemAxon smiles CSC1=CN=CC=N1 ChemAxon formula C5H6N2S ChemAxon inchi InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3 ChemAxon inchikey KBPBOWBQRUXMFV-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 34.82 ChemAxon polarizability 12.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5996 Specdb::MsIr 5997 Specdb::CMs 18484 Specdb::CMs 165122 Specdb::NmrOneD 118378 Specdb::NmrOneD 118379 Specdb::NmrOneD 118380 Specdb::NmrOneD 118381 Specdb::NmrOneD 118382 Specdb::NmrOneD 118383 Specdb::NmrOneD 118384 Specdb::NmrOneD 118385 Specdb::NmrOneD 118386 Specdb::NmrOneD 118387 Specdb::NmrOneD 118388 Specdb::NmrOneD 118389 Specdb::NmrOneD 118390 Specdb::NmrOneD 118391 Specdb::NmrOneD 118392 Specdb::NmrOneD 118393 Specdb::NmrOneD 118394 Specdb::NmrOneD 118395 Specdb::NmrOneD 118396 Specdb::NmrOneD 118397 Specdb::MsMs 51837 Specdb::MsMs 51838 Specdb::MsMs 51839 Specdb::MsMs 163347 Specdb::MsMs 163348 Specdb::MsMs 163349 Specdb::MsMs 2705912 Specdb::MsMs 2705913 Specdb::MsMs 2705914 Specdb::MsMs 2999080 Specdb::MsMs 2999081 Specdb::MsMs 2999082 HMDB33152 #<Reference:0x000055ce3231b3b0> chip corn ether nutty sulfurous